7,17-dimethylpentacosane

C27H56 — CID 56936202

IUPAC7,17-dimethylpentacosane
SMILESCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCC
InChIInChI=1S/C27H56/c1-5-7-9-11-15-19-23-27(4)25-21-17-14-12-13-16-20-24-26(3)22-18-10-8-6-2/h26-27H,5-25H2,1-4H3
InChIKeyUPTZMORXVNZMSQ-UHFFFAOYSA-N
MW380.75 g/mol
LogP10.49
Rot. Bonds22

About 7,17-dimethylpentacosane

7,17-dimethylpentacosane (PubChem CID 56936202) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 7,17-dimethylpentacosane.

Molecular Properties

Compound Name7,17-dimethylpentacosane
PubChem CID56936202
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name7,17-dimethylpentacosane
SMILESCCCCCCCCC(C)CCCCCCCCCC(C)CCCCCC
InChIInChI=1S/C27H56/c1-5-7-9-11-15-19-23-27(4)25-21-17-14-12-13-16-20-24-26(3)22-18-10-8-6-2/h26-27H,5-25H2,1-4H3
InChIKeyUPTZMORXVNZMSQ-UHFFFAOYSA-N
XLogP10.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 7,17-dimethylpentacosane?
The IUPAC name of 7,17-dimethylpentacosane (CID 56936202) is 7,17-dimethylpentacosane.
What is the SMILES notation for 7,17-dimethylpentacosane?
The canonical SMILES for 7,17-dimethylpentacosane is CCCCCCCCC(C)CCCCCCCCCC(C)CCCCCC.
What is the InChIKey of 7,17-dimethylpentacosane?
The InChIKey is UPTZMORXVNZMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56/c1-5-7-9-11-15-19-23-27(4)25-21-17-14-12-13-16-20-24-26(3)22-18-10-8-6-2/h26-27H,5-25H2,1-4H3.
What are the key properties of 7,17-dimethylpentacosane?
7,17-dimethylpentacosane has a molecular weight of 380.75 g/mol, XLogP of 10.49, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,17-dimethylpentacosane is sourced from PubChem (CID 56936202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).